CID 3080016

126921-40-2

Structural Information

Molecular Formula
C22H25N3
SMILES
CC(CN1CCN(CC1)C2=CC=CC=C2)C3=NC4=CC=CC=C4C=C3
InChI
InChI=1S/C22H25N3/c1-18(21-12-11-19-7-5-6-10-22(19)23-21)17-24-13-15-25(16-14-24)20-8-3-2-4-9-20/h2-12,18H,13-17H2,1H3
InChIKey
OCLCBDZSURAYKZ-UHFFFAOYSA-N
Compound name
2-[1-(4-phenylpiperazin-1-yl)propan-2-yl]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.20483 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.21211 183.2
[M+Na]+ 354.19405 187.2
[M-H]- 330.19755 187.7
[M+NH4]+ 349.23865 192.5
[M+K]+ 370.16799 180.1
[M+H-H2O]+ 314.20209 170.3
[M+HCOO]- 376.20303 196.1
[M+CH3COO]- 390.21868 190.7
[M+Na-2H]- 352.17950 186.6
[M]+ 331.20428 177.9
[M]- 331.20538 177.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.